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Retronecine, bis(2-methylcrotonate)
SpectraBase Compound ID 5TpUEEwNcLw
InChI InChI=1S/C18H25NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h5-7,15-16H,8-11H2,1-4H3/b12-5+,13-6+/t15-,16-/m1/s1
InChIKey HMXNAWUWVBSLJC-CSEAUEQQSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MOgQQNaGT3
Name Retronecine, bis(2-methylcrotonate)
CAS Registry Number 25471-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h5-7,15-16H,8-11H2,1-4H3/b12-5+,13-6+/t15-,16-/m1/s1
InChIKey HMXNAWUWVBSLJC-CSEAUEQQSA-N
Molecular Weight 319.401 g/mol
SMILES [C@]1([C@]2(C(=CCN2CC1)COC(\C(=C\C)C)=O)[H])(OC(\C(=C\C)C)=O)[H]
SPLASH splash10-00su-9720000000-0ea4d7c42c18e4828a85
Source of Spectrum KC-1977-543-0
Synonyms (E)-2-methyl-2-butenoic acid [(7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate
Wiley ID 1319390